ChemSpider 2D Image | 2-[(2,2-Difluoroethyl)sulfanyl]-5-(trifluoromethyl)aniline | C9H8F5NS

2-[(2,2-Difluoroethyl)sulfanyl]-5-(trifluoromethyl)aniline

  • Molecular FormulaC9H8F5NS
  • Average mass257.224 Da
  • Monoisotopic mass257.029755 Da
  • ChemSpider ID28544655

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(2,2-Difluorethyl)sulfanyl]-5-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
2-[(2,2-Difluoroethyl)sulfanyl]-5-(trifluoromethyl)aniline [ACD/IUPAC Name]
2-[(2,2-Difluoroéthyl)sulfanyl]-5-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
Benzenamine, 2-[(2,2-difluoroethyl)thio]-5-(trifluoromethyl)- [ACD/Index Name]
1183293-41-5 [RN]
MFCD12807580

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 271.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.1±27.3 °C
Index of Refraction: 1.488
Molar Refractivity: 52.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 163.76
ACD/KOC (pH 5.5): 1338.05
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 163.83
ACD/KOC (pH 7.4): 1338.67
Polar Surface Area: 51 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 33.9±5.0 dyne/cm
Molar Volume: 183.3±5.0 cm3

Click to predict properties on the Chemicalize site


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